N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine

C9H10BrN3S — CID 107353952

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1cc(Br)cs1
InChIInChI=1S/C9H10BrN3S/c1-6(9-2-7(10)5-14-9)13-8-3-11-12-4-8/h2-6,13H,1H3,(H,11,12)
InChIKeyUMJZJLOXUALTQR-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine (PubChem CID 107353952) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine
PubChem CID107353952
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1cc(Br)cs1
InChIInChI=1S/C9H10BrN3S/c1-6(9-2-7(10)5-14-9)13-8-3-11-12-4-8/h2-6,13H,1H3,(H,11,12)
InChIKeyUMJZJLOXUALTQR-UHFFFAOYSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 107354219
N-[1-(4-bromothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 107353984
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107353846
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
CID 107354261
N-[1-(4-bromothiophen-2-yl)ethyl]-4-propoxyaniline
CID 107354355
N-[1-(4-bromothiophen-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 107354369
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
CID 43540011
N-[1-(4-bromothiophen-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 107167802

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine (CID 107353952) is N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine is CC(Nc1cn[nH]c1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine?
The InChIKey is UMJZJLOXUALTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-6(9-2-7(10)5-14-9)13-8-3-11-12-4-8/h2-6,13H,1H3,(H,11,12).
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine has a molecular weight of 272.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 107353952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).